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Boron Trifluoride Etherate
CAS: 109-63-7 | C4H10BF3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
109-63-7
Molecular Formula:
C4H10BF3O
Molecular Weight:
141.929 g/mol
Names and Synonyms:
Boron Trifluoride Etherate
Synonym
Boron, trifluoro[1,1′-oxybis[ethane]]-, (T-4)-
Synonym
Ethyl ether, compd. with boron fluoride (BF3) (1:1)
Synonym
Borane, trifluoro-, compd. with 1,1′-oxybis[ethane] (1:1)
Synonym
Ethyl ether, compd. with BF3 (1:1)
Synonym
Ethane, 1,1′-oxybis-, compd. with trifluoroborane (1:1)
Synonym
Boron fluoride (BF3), compd. with ethyl ether (1:1)
Synonym
(T-4)-Trifluoro[1,1′-oxybis[ethane]]boron
Synonym
Boron fluoride diethyl etherate
Synonym
Boron fluoride etherate
Synonym
Boron fluoride-ethyl etherate
Synonym
Boron fluoride-ethyl ether complex
Synonym
Boron trifluoride-ether complex
Synonym
Boron trifluoride-ethyl ether
Synonym
Boron trifluoride-ethyl etherate
Synonym
Boron trifluoride-ethyl ether complex
Synonym
Ethyl ether-boron trifluoride complex
Synonym
Boron trifluoride etherate
Synonym
Boron fluoride diethyl ether complex
Synonym
Boron trifluoride-diethyl ether complex
Synonym
Boron fluoride (BF3)-ethyl ether compound
Synonym
Boron trifluoride ethyl etherate (1:1)
Synonym
Boron fluoride monoetherate
Synonym
Boron trifluoride-diethyl ether complex (1:1)
Synonym
Boron trifluoride-ethyl ether (1:1)
Synonym
Trifluoroboron etherate
Synonym
Boron fluoride-diethyl ether compound
Synonym
Trifluoroborane-1,1′-oxybis[ethane] (1:1)
Synonym
Boron trifluoride-diethyl etherate
Synonym
Diethyl ether trifluoroborane complex
Synonym
Trifluoroborane diethyl etherate
Synonym
Boron trifluoride-diethyl ether 1:1 complex
Synonym
Diethyl ether compound with boron trifluoride
Synonym
Boron trifluoride etherate (1:1)
Synonym
Boron trifluoride monoetherate
Synonym
Boron trifluoride-diethyl ether (1:1)
Synonym
Diethyl ether-trifluoroborane (1:1)
Synonym
Trifluoroboron-diethyl ether (1:1)
Synonym
(Diethyl ether)trifluoroboron
Synonym
(Diethyl ether)trifluoroborane
Synonym
Trifluoro(diethyl ether)boron
Synonym
Trifluoro[1,1′-oxybis[ethane]]boron
Synonym
Boron trifluoride diethyl ether adduct
Synonym
Trifluoroborane diethyl ether complex
Synonym
Identifiers:
SMILES:
CC[O+](CC)[B-](F)(F)F
InChI:
InChI=1S/C4H10BF3O/c1-3-9(4-2)5(6,7)8/h3-4H2,1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 141.929 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 142.07768 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 2.700000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.9226 | RDKit |
| molecular_mass | 141.93 g/mol | Legacy Database |
| density | 1.36 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Boron_trifluoride_etherate None | Legacy Database |
| cas-boiling-point | 125.7 °C None | Legacy Database |
| cas-canonical-smile | [F-][B+3]([F-])([F-])O(CC)CC None | Legacy Database |
| cas-density | 1.3572 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C4H10BF3O/c1-3-9(4-2)5(6,7)8/h3-4H2,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=MZTVMRUDEFSYGQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -60.4 °C None | Legacy Database |
| cas-name | Boron trifluoride etherate None | Legacy Database |
| wikipedia-name | Boron trifluoride etherate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.244999999999987 | RDKit |